ALA1095262Name:
3,9-hydroxy-2,10-(gamma,gamma-dimethylallyl)coumestanMol. Formula:
C25H24O5M.W.:
404.46Type:
Small moleculeAlogP:
6.12Polar Surface Area:
83.81HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
5.93Polar Surface Area:
111.13HBA:
5HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA1098278Name:
3-hydroxy-9-methoxy-10-(3-methylbut-2-enyl)coumestanMol. Formula:
C21H18O5M.W.:
350.37Type:
Small moleculeAlogP:
4.92Polar Surface Area:
72.81HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
Small moleculeAlogP:
2.64Polar Surface Area:
68.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
85.22HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS-
Type:
Small moleculeAlogP:
4.84Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
6.05Polar Surface Area:
90.90HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
83.81HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS
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